Molecule

ID:40512

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c1-11-3-8-15(12(2)9-11)17-14-6-4-13(10-16)5-7-14/h3-9H,1-2H3
InChIKey
MZLPDCXQIXHLSL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)Oc1ccc(cc1C)C
Isomeric Smiles
c1(c(cc(cc1)C)C)Oc1ccc(cc1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.356472
LogD (pH = 7.4)
4.356472
Log P
4.356472
Molar Refractivity
68.1028
Polarizability
26.038689
Polar Surface Area
33.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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